N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C12H23Cl2N3OS — CID 119854849

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(C2CC2)C1)C1CSCN1
InChIInChI=1S/C12H21N3OS.2ClH/c16-12(11-7-17-8-14-11)13-5-9-3-4-15(6-9)10-1-2-10;;/h9-11,14H,1-8H2,(H,13,16);2*1H
InChIKeyIINAYMGTMLGHRA-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.09
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119854849) has the molecular formula C12H23Cl2N3OS and a molecular weight of 328.31 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119854849
Molecular FormulaC12H23Cl2N3OS
Molecular Weight328.31 g/mol
Exact Mass327.09
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(C2CC2)C1)C1CSCN1
InChIInChI=1S/C12H21N3OS.2ClH/c16-12(11-7-17-8-14-11)13-5-9-3-4-15(6-9)10-1-2-10;;/h9-11,14H,1-8H2,(H,13,16);2*1H
InChIKeyIINAYMGTMLGHRA-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61208333
(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119290243
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
CID 119854796
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 79081953
(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939493
N-[(2-hydroxycyclohexyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119330198
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908667
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854841

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119854849) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCN(C2CC2)C1)C1CSCN1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is IINAYMGTMLGHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.2ClH/c16-12(11-7-17-8-14-11)13-5-9-3-4-15(6-9)10-1-2-10;;/h9-11,14H,1-8H2,(H,13,16);2*1H.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 328.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).